SCHEMBL3787121

SCHEMBL3787121

O=C(O)C(CS)c1nc2ccccc2s1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.56
HSD17B10 Q99714 2/20 0.56
CYP1A2 P05177 1/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56
HIF1A Q16665 1/20 0.56
ALOX5 P09917 1/20 0.48
LOXL2 Q9Y4K0 1/20 0.48
SMN1; SMN2 Q16637 5/20 0.46
RAB9A P51151 3/20 0.46
NPC1 O15118 1/20 0.46
PKM P14618 1/20 0.45
ALOX15 P16050 1/20 0.44
HTT P42858 1/20 0.44
CSNK1D P48730 3/20 0.44
NCS1 P62166 1/20 0.44
POLB P06746 2/20 0.43
ALDH1A1 P00352 1/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3779279 0.88 HPGD (0.53) HPGDHSD17B10CYP1A2CYP2C9CYP2C19
SCHEMBL402775 0.87 HPGD (0.55) HPGDHSD17B10CYP1A2CYP2C9CYP2C19
Ammonia Solution, Strong SCHEMBL7033471 0.85 HPGD (0.53) HPGDHSD17B10CYP1A2CYP2C9CYP2C19
SCHEMBL2856934 0.85 HPGD (0.56) HPGDHSD17B10CYP1A2CYP2C9CYP2C19
SCHEMBL4786698 0.85 HPGD (0.56) HPGDHSD17B10CYP1A2CYP2C9CYP2C19
Methylamine SCHEMBL10867351 0.83 HPGD (0.51) HPGDHSD17B10CYP1A2CYP2C9CYP2C19
SCHEMBL29152499 0.82 HPGD (0.53) HPGDHSD17B10CYP1A2CYP2C9CYP2C19
Dimethylamine SCHEMBL10597484 0.82 HPGD (0.50) HPGDHSD17B10CYP1A2CYP2C9CYP2C19
SCHEMBL29031687 0.82 HPGD (0.50) HPGDHSD17B10CYP1A2CYP2C9CYP2C19
SCHEMBL28712690 0.81 SMN1; SMN2 (0.54) HPGDHSD17B10CYP1A2CYP2C9CYP2C19

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100330809-A1 POLISHING LIQUID FOR METALS FUJIFILM CORPORATION (JP) 2010-12-30 US disclosed
US-20070200089-A1 Polishing liquid for metals FUJIFILM CORPORATION 2007-08-30 US disclosed
US-20050282387-A1 Metal polish composition, polishing method using the composition and method for producing wafer using the polishing method SHOWA DENKO K.K. (JP) 2005-12-22 US disclosed
EP-1517972-A1 METAL POLISH COMPOSITION, POLISHING METHOD USING THE COMPOSITION AND METHOD FOR PRODUCING WAFER USING THE POLISHING METHOD Showa Denko K.K. (JP) 2005-03-30 EP disclosed
WO-2003104350-A1 METAL POLISH COMPOSITION, POLISHING METHOD USING THE COMPOSITION AND METHOD FOR PRODUCING WAFER USING THE POLISHING METHOD SHOWA DENKO K.K. (JP) 2003-12-18 WO disclosed